Metabolomics Structure Database

 
MW REGNO: 67675
Common Name:Damascenine
Systematic Name:methyl 3-methoxy-2-(methylamino)benzoate
RefMet Name:Damascenine
Synonyms:Nigelline; AC1L2I6J; SureCN2684575; 5296-80-0 (hydrochloride) [PubChem Synonyms]
Exact Mass:
195.0895 (neutral)    Calculate m/z:
Formula:C10H13NO3
InChIKey:ZRWJIZYZTLTXJI-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:M-methoxybenzoic acids and derivatives [C0002347]
SMILES:CNc1c(cccc1OC)C(=O)OC
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo